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AquaBridge: A novel method for systematic search of structural water molecules within the protein active sites.

Arina AfanasyevaSergey IzmailovMichel GrigorievMichael Petukhov
Published in: J. Comput. Chem. (2015)
Keyphrases
  • systematic search
  • neural network
  • cost function
  • dynamic programming
  • computationally efficient
  • optimization algorithm
  • global optimization
  • search methods
  • convergence rate